methyl 2-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-5-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-5-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-5-methoxy-phenoxy]acetate CAS Name: 2-[4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2-chloro-5-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-5-methoxyphenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)thiocarbamoylamino]-2-chloro-5-methoxy-phenoxy]acetic acid methyl ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OCC(=O)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OCC(=O)OC)Cl

InChI

InChI=1S/C19H20ClN3O5S/c1-11(24)21-12-4-6-13(7-5-12)22-19(29)23-15-8-14(20)16(9-17(15)26-2)28-10-18(25)27-3/h4-9H,10H2,1-3H3,(H,21,24)(H2,22,23,29)